4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

C9H12N6 — CID 65363413

IUPAC4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESNc1cc(CC(N)c2ncn[nH]2)ccn1
InChIInChI=1S/C9H12N6/c10-7(9-13-5-14-15-9)3-6-1-2-12-8(11)4-6/h1-2,4-5,7H,3,10H2,(H2,11,12)(H,13,14,15)
InChIKeyDOXDVTATZIVZNF-UHFFFAOYSA-N
MW204.24 g/mol
LogP0.02
Rot. Bonds3

About 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine

4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (PubChem CID 65363413) has the molecular formula C9H12N6 and a molecular weight of 204.24 g/mol. Its IUPAC name is 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
PubChem CID65363413
Molecular FormulaC9H12N6
Molecular Weight204.24 g/mol
Exact Mass204.11
IUPAC Name4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
SMILESNc1cc(CC(N)c2ncn[nH]2)ccn1
InChIInChI=1S/C9H12N6/c10-7(9-13-5-14-15-9)3-6-1-2-12-8(11)4-6/h1-2,4-5,7H,3,10H2,(H2,11,12)(H,13,14,15)
InChIKeyDOXDVTATZIVZNF-UHFFFAOYSA-N
XLogP0.02
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The IUPAC name of 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine (CID 65363413) is 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is Nc1cc(CC(N)c2ncn[nH]2)ccn1.
What is the InChIKey of 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
The InChIKey is DOXDVTATZIVZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6/c10-7(9-13-5-14-15-9)3-6-1-2-12-8(11)4-6/h1-2,4-5,7H,3,10H2,(H2,11,12)(H,13,14,15).
What are the key properties of 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine?
4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine has a molecular weight of 204.24 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 65363413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).